N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide

C21H21NO4 — CID 9481817

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4/c1-15(18-9-6-12-25-18)22-21(23)17-10-11-19(20(13-17)24-2)26-14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyIGZQVHUESARNKO-OAHLLOKOSA-N
MW351.40 g/mol
LogP4.36
Rot. Bonds7

About N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide

N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 9481817) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID9481817
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4/c1-15(18-9-6-12-25-18)22-21(23)17-10-11-19(20(13-17)24-2)26-14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyIGZQVHUESARNKO-OAHLLOKOSA-N
XLogP4.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 9472683
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
4-butoxy-N-[furan-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 134029325
[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8922456
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide (CID 9481817) is N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)N[C@H](C)c2ccco2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is IGZQVHUESARNKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15(18-9-6-12-25-18)22-21(23)17-10-11-19(20(13-17)24-2)26-14-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 351.40 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 9481817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).